[4-[4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl]phenyl] 4-octoxybenzoate

Systemtic Name: [4-[4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl]phenyl] 4-octoxybenzoate Openeye Name: [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid [4-[4-(2-chloro-3-methyl-1-oxobutoxy)phenyl]phenyl] ester IUPAC Name: [4-[4-(2-chloro-3-methylbutanoyl)oxyphenyl]phenyl] 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] ester Formula: C32H37ClO5 MolecularWeight: 537.08618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C(C(C)C)Cl

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C(C(C)C)Cl

InChI

InChI=1S/C32H37ClO5/c1-4-5-6-7-8-9-22-36-27-16-14-26(15-17-27)31(34)37-28-18-10-24(11-19-28)25-12-20-29(21-13-25)38-32(35)30(33)23(2)3/h10-21,23,30H,4-9,22H2,1-3H3